Thioanisole
TL;DR: Thioanisole (CAS 100-68-5) is a chemical compound with molecular formula C7H8S and molecular weight 124.03467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methylsulfanylbenzene
Also Known As: Thioanisole, Methyl phenyl sulfide, Thioanisol, (Methylthio)benzene, Phenylthiomethane
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8S |
| Molecular Weight | 124.03467 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.03467 Da |
| Heavy Atoms | 8 |
| Complexity | 55.0 |
| Melting Point | -15 °C |
| Boiling Point | 188.00 to 193.00 °C. @ 760.00 mm Hg |
| Density | 0.958-0.968 |
| Refractive Index | 1.532-1.551 |
| Solubility | 0.506 mg/mL at 25 °C |
| SMILES | CSC1=CC=CC=C1 |
| InChIKey | HNKJADCVZUBCPG-UHFFFAOYSA-N |
Product Description
Applications: Thioanisole is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Thioanisole (CAS 100-68-5) is a pharmaceutical intermediate with the molecular formula C7H8S and a molecular weight of 124.03 g/mol. Key physical properties include a density of 0.958-0.968 g/cm³, a solubility: 0.506 mg/mL at 25 °C. Synonyms include Thioanisole and Methyl phenyl sulfide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Thioanisole
Property Insights of Thioanisole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thioanisole. With a topological polar surface area (TPSA) of 25.3 Ų, Thioanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thioanisole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Thioanisole?
The CAS number of Thioanisole is 100-68-5.
What is the molecular formula of Thioanisole?
The molecular formula of Thioanisole is C7H8S.
What is the molecular weight of Thioanisole?
The molecular weight of Thioanisole is 124.03467 g/mol.
What are the applications of Thioanisole?
Thioanisole is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Thioanisole?
You can request a quote for Thioanisole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thioanisole?
Yes, CoreyChem provides custom synthesis services for Thioanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.